5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile

C19H13N3OS — CID 11709714

IUPAC5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile
SMILESN#Cc1sc(-n2cnc3ccccc32)cc1OCc1ccccc1
InChIInChI=1S/C19H13N3OS/c20-11-18-17(23-12-14-6-2-1-3-7-14)10-19(24-18)22-13-21-15-8-4-5-9-16(15)22/h1-10,13H,12H2
InChIKeyMGYJYIOFISCNEH-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.54
Rot. Bonds4

About 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile

5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile (PubChem CID 11709714) has the molecular formula C19H13N3OS and a molecular weight of 331.40 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile
PubChem CID11709714
Molecular FormulaC19H13N3OS
Molecular Weight331.40 g/mol
Exact Mass331.08
IUPAC Name5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile
SMILESN#Cc1sc(-n2cnc3ccccc32)cc1OCc1ccccc1
InChIInChI=1S/C19H13N3OS/c20-11-18-17(23-12-14-6-2-1-3-7-14)10-19(24-18)22-13-21-15-8-4-5-9-16(15)22/h1-10,13H,12H2
InChIKeyMGYJYIOFISCNEH-UHFFFAOYSA-N
XLogP4.54
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile?
The IUPAC name of 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile (CID 11709714) is 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile.
What is the SMILES notation for 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile?
The canonical SMILES for 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile is N#Cc1sc(-n2cnc3ccccc32)cc1OCc1ccccc1.
What is the InChIKey of 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile?
The InChIKey is MGYJYIOFISCNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3OS/c20-11-18-17(23-12-14-6-2-1-3-7-14)10-19(24-18)22-13-21-15-8-4-5-9-16(15)22/h1-10,13H,12H2.
What are the key properties of 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile?
5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile has a molecular weight of 331.40 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carbonitrile is sourced from PubChem (CID 11709714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).